DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:40 UTC
Update Date	2025-03-25 00:56:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219067
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₄O₁₆
Molecular Mass	626.1847
SMILES	COc1ccc(C2Oc3cc(O)cc(OC4OC(C)C(O)C(O)C4O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	GWAJETCPDHLREX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 3-hydroxyflavonoids 4'-o-methylated flavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carboxylic acid 1-benzopyran o-glucuronide monosaccharide pyran carboxylic acid flavonoid-3p-o-glucuronide 1-o-glucuronide beta-hydroxy acid saccharide acetal catechin oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran methoxybenzene anisole 7-hydroxyflavonoid 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

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